Chloride → Pyrithiobac

HRID 1217776Notes

Reaction equation

HRID 1217776 reaction equation
[CH3:14][O:15][c:16]1[n:17][c:18]([S:24]([CH3:25])(=[O:26])=[O:27])[n:19][c:20]([O:22][CH3:23])[cH:21]1.[CH3:31][N:32]([CH3:33])[CH:34]=[O:35].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[Cl-:29].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]([SH:11])[c:7]1[C:8](=[O:9])[OH:10].[ClH:30].[H-:12].[Na+:13].[Na+:28].[OH2:42]>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]([S:11][c:18]2[n:17][c:16]([O:15][CH3:14])[cH:21][c:20]([O:22][CH3:23])[n:19]2)[c:7]1[C:8](=[O:9])[OH:10]

Participants

10

Reactant 9

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 166653HydrideHCID 8383634,6-Dimethoxy-2-(methylsulfonyl)pyrimidineHCID 144382762-Chloro-6-sulfanylbenzoic acid

Product 1

HCID 91781Pyrithiobac

Sources & evidence

ORD record
ord-7cbda6ae1c6a4312b738e056cb8b7a4c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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